Crystal and molecular structure of glyoxal bis(amidinohydrazone) dihydrochloride; biochemical aspects

Abstract

The crystal and molecular structure of the title compound has been determined by single-crystal X-ray analysis and refined to an R value of 0.027. The crystal is monoclinic, space group P2₁/c with a= 5.476(3), b= 14.540(7), c= 6.915(3)Å, β= 99.88(4)°, and Z= 2. The structure consists of layers of dipositive cations [C₄H₁₂N₈]²⁺ and Cl^– ions. The planar cation has the trans-configuration of the chain. Hydrogen bonds of the type N–H ⋯ Cl^– are formed within the layers, but not between them. The molecules in the crystal are held together through stacking and via the delocalized π-electron system. The mean planes of the cations are approximately 3.51 Å apart. The crystal structure is compared with that of other bis(amidinohydrazone) derivatives and the relationship between crystal structure and biochemical properties is discussed.